| SpectraBase Compound ID | LnY16yPcxdg |
|---|---|
| InChI | InChI=1S/C19H31NOS/c1-2-3-4-5-6-7-8-9-13-16-20-19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3,(H,20,21) |
| InChIKey | XUVWXBSPUOHDHV-UHFFFAOYSA-N |
| Mol Weight | 321.52 g/mol |
| Molecular Formula | C19H31NOS |
| Exact Mass | 321.212636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkiNf2KzsA4 |
|---|---|
| Name | Acetamide, 2-phenylthio-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.212635795 u |
| Formula | C19H31NOS |
| InChI | InChI=1S/C19H31NOS/c1-2-3-4-5-6-7-8-9-13-16-20-19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3,(H,20,21) |
| InChIKey | XUVWXBSPUOHDHV-UHFFFAOYSA-N |
| Molecular Weight | 321.523 g/mol |
| SMILES | C(=O)(NCCCCCCCCCCC)CSC1=CC=CC=C1 |